N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-(2-methoxyphenyl)-5-thianthren-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-(2-methoxyphenyl)-5-thianthren-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-(2-methoxyphenyl)-5-thianthren-1-yl-pyrimidine-2,4-diamine CAS Name: N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-(2-methoxyphenyl)-5-(1-thianthrenyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[4-(2-diethylaminoethyloxy)phenyl]-4-N-(2-methoxyphenyl)-5-thianthren-1-ylpyrimidine-2,4-diamine Traditional Name: diethyl-[2-[4-[[4-(o-anisidino)-5-thianthren-1-yl-pyrimidin-2-yl]amino]phenoxy]ethyl]amine Formula: C35H35N5O2S2 MolecularWeight: 621.8147

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3OC)C4=C5C(=CC=C4)SC6=CC=CC=C6S5

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3OC)C4=C5C(=CC=C4)SC6=CC=CC=C6S5

InChI

InChI=1S/C35H35N5O2S2/c1-4-40(5-2)21-22-42-25-19-17-24(18-20-25)37-35-36-23-27(34(39-35)38-28-12-6-7-13-29(28)41-3)26-11-10-16-32-33(26)44-31-15-9-8-14-30(31)43-32/h6-20,23H,4-5,21-22H2,1-3H3,(H2,36,37,38,39)